Interacting hard rods on a lattice: Distribution of microstates and density functionals

Autor(en): Bakhti, Benaoumeur
Mueller, Gerhard
Maass, Philipp 
Stichwörter: ADHESION; Chemistry; Chemistry, Physical; EQUILIBRIUM; GAS PROBLEMS; MODEL; PERCUS-YEVICK APPROXIMATION; PHASE-TRANSITIONS; Physics; Physics, Atomic, Molecular & Chemical; PROTEIN SOLUTIONS; SEPARATION; SPHERE FLUIDS; SYSTEMS
Erscheinungsdatum: 2013
Herausgeber: AMER INST PHYSICS
Journal: JOURNAL OF CHEMICAL PHYSICS
Volumen: 139
Ausgabe: 5
Zusammenfassung: 
We derive exact density functionals for systems of hard rods with first-neighbor interactions of arbitrary shape but limited range on a one-dimensional lattice. The size of all rods is the same integer unit of the lattice constant. The derivation, constructed from conditional probabilities in a Markov chain approach, yields the exact joint probability distribution for the positions of the rods as a functional of their density profile. For contact interaction (''sticky core model'') between rods, we give a lattice fundamental measure form of the density functional and present explicit results for contact correlators, entropy, free energy, and chemical potential. Our treatment includes inhomogeneous couplings and external potentials. (C) 2013 AIP Publishing LLC.
ISSN: 00219606
DOI: 10.1063/1.4816379

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